Simulation of the structure and motion of grain boundary in pure substances by phase field crystal model
纯物质晶界结构及运动的晶体相场法模拟

The phase field crystal model was used to simulate the structure of the small angle and the large angle grain boundary (GB), the grain rotation and the GB migration during deformation. Simulated results show that the dislocation glide and climb are the main mechanisms for the small angle GB migration. While for the large angle GB, GB migration occurs by the atoms jumping over the grain boundary and the motion of dislocations and other defects.